2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C16H18ClN3O4S2 — CID 24589940

IUPAC2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc(C)c(CC(N)=O)s2)c(OC)cc1Cl
InChIInChI=1S/C16H18ClN3O4S2/c1-8-13(6-14(18)21)26-16(19-8)25-7-15(22)20-10-5-11(23-2)9(17)4-12(10)24-3/h4-5H,6-7H2,1-3H3,(H2,18,21)(H,20,22)
InChIKeyONIVLBJGMPYONY-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.88
Rot. Bonds8

About 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 24589940) has the molecular formula C16H18ClN3O4S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID24589940
Molecular FormulaC16H18ClN3O4S2
Molecular Weight415.92 g/mol
Exact Mass415.04
IUPAC Name2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(NC(=O)CSc2nc(C)c(CC(N)=O)s2)c(OC)cc1Cl
InChIInChI=1S/C16H18ClN3O4S2/c1-8-13(6-14(18)21)26-16(19-8)25-7-15(22)20-10-5-11(23-2)9(17)4-12(10)24-3/h4-5H,6-7H2,1-3H3,(H2,18,21)(H,20,22)
InChIKeyONIVLBJGMPYONY-UHFFFAOYSA-N
XLogP2.88
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide with MolForge

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55467963
methyl 2-[[2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]acetate
CID 43037980
2-[2-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589851
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19727977
2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589864
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19717757
N-(5-chloro-2,4-dimethoxyphenyl)-2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24572404
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2088056
2-[2-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46527887
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17301704
butyl 4-[[2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 46683789
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9438955

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 24589940) is 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is COc1cc(NC(=O)CSc2nc(C)c(CC(N)=O)s2)c(OC)cc1Cl.
What is the InChIKey of 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is ONIVLBJGMPYONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S2/c1-8-13(6-14(18)21)26-16(19-8)25-7-15(22)20-10-5-11(23-2)9(17)4-12(10)24-3/h4-5H,6-7H2,1-3H3,(H2,18,21)(H,20,22).
What are the key properties of 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 415.92 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 24589940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).